Geometry & MOs

Info

ID:	425222
PubChem CID:	135125567
Reduced:	BrSO2F3N4H16C18 (1)
Stoich.:	ABC2D3E4F16G18 (1)
Weight, g/mol:	488.01294
ΔH_f, kcal/mol:	-128.54
Dipole, Da:	6.63
IP(EA), eV:	-9.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(5-bromopyridin-2-yl)-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)/C=C(/C3=NC=C(C=C3)Br)\F)F)F

DOS

IR

Vibrations